Motion of the proton in an asymmetric double minimum potential

作者: Marie C. Flanigan , Jose R. de la Vega

DOI: 10.1063/1.1682188

关键词: Harmonic oscillatorStationary stateWKB approximationVariational methodOscillationQuantum mechanicsPhysicsExpectation valueGround stateSemiclassical physics

摘要: A method different from the semiclassical WKB was developed for calculating energy levels of a proton and its penetration through barrier under an asymmetric double minimum potential. The potential written as sum parabolic term with at X = 0 Gaussian maximum X0. stationary states were found by variational using eigenfunctions harmonic oscillator time dependence system expanding eigenstate t in terms states. centered left well exponent consistent ground state this represented 0. is to oscillate anharmonically between two wells. conveniently described average frequency oscillation extreme expectation value proton's position second...

参考文章(10)
Ronnie Bell, Acid-base catalysis ,(1941)
Edward Caldin, Fast reactions in solution Blackwell Scientific. ,(1964)
Self-Dissociation and Protonic Charge Transport in Water and Ice Proceedings of The Royal Society A: Mathematical, Physical and Engineering Sciences. ,vol. 247, pp. 505- 533 ,(1958) , 10.1098/RSPA.1958.0208
J. D. Swalen, James A. Ibers, Potential Function for the Inversion of Ammonia Journal of Chemical Physics. ,vol. 36, pp. 1914- 1918 ,(1962) , 10.1063/1.1701290
Jan H. Busch, José R. de la Vega, Simultaneous proton transfer along a linear water polymer Chemical Physics Letters. ,vol. 26, pp. 61- 63 ,(1974) , 10.1016/0009-2614(74)89083-4
M. D. Newton, S. Ehrenson, Ab initio studies on the structures and energetics of inner- and outer-shell hydrates of the proton and the hydroxide ion Journal of the American Chemical Society. ,vol. 93, pp. 4971- 4990 ,(1971) , 10.1021/JA00749A001
Peter A. Kollman, Leland C. Allen, Theory of the Hydrogen Bond: Electronic Structure and Properties of the Water Dimer The Journal of Chemical Physics. ,vol. 51, pp. 3286- 3293 ,(1969) , 10.1063/1.1672509
R. L. Somorjai, D. F. Hornig, Double‐Minimum Potentials in Hydrogen‐Bonded Solids The Journal of Chemical Physics. ,vol. 36, pp. 1980- 1987 ,(1962) , 10.1063/1.1732814
J. H. Brimmell, The Proton in Chemistry Journal of The Electrochemical Society. ,vol. 109, pp. 117C- ,(1962) , 10.1149/1.2425397
Marie C. Flanigan, José R. de la Vega, Tunneling in the proton transfer between two water molecules Chemical Physics Letters. ,vol. 21, pp. 521- 524 ,(1973) , 10.1016/0009-2614(73)80298-2